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CAS Number: 5888-51-7

SMILES : COc1cc(CC)ccc1OC

CHEM : 4-ethyl-1,2-dimethoxybenzene

MOL FOR: C10 H14 O2

MOL WT : 166.22

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.68

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 231.03 (Adapted Stein & Brown method)

Melting Pt (deg C): 23.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0741 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 9.88 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 331.9

log Kow used: 2.68 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 54.647 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.76E-005 atm-m3/mole (2.80E+000 Pa-m3/mole)

Group Method: 5.87E-003 atm-m3/mole (5.95E+002 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.883E-005 atm-m3/mole (4.948E+000 Pa-m3/mole)

VP: 0.0741 mm Hg (source: MPBPVP)

WS: 332 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.68 (KowWin est)

Log Kaw used: -2.948 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.628

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9869

Biowin2 (Non-Linear Model) : 0.9967

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6408 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6936 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5783

Biowin6 (MITI Non-Linear Model): 0.6607

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5453

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 9.33 Pa (0.07 mm Hg)

Log Koa (Koawin est ): 5.628

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 3.21E-007

Octanol/air (Koa) model: 1.04E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.16E-005

Mackay model : 2.57E-005

Octanol/air (Koa) model: 8.34E-006

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 48.9815 E-12 cm3/molecule-sec

Half-Life = 0.218 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.620 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.87E-005 (Junge-Pankow, Mackay avg)

8.34E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 186.9 L/kg (MCI method)

Log Koc: 2.272 (MCI method)

Koc : 330.6 L/kg (Kow method)

Log Koc: 2.519 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.433 (BCF = 27.09 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3313 days (HL = 0.4664 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.598 (BCF = 39.66)

Log BAF Arnot-Gobas method (upper trophic) = 1.598 (BAF = 39.66)

log Kow used: 2.68 (estimated)

Volatilization from Water:

Henry LC: 0.00587 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.444 hours

Half-Life from Model Lake : 123.9 hours (5.161 days)

Removal In Wastewater Treatment:

Total removal: 70.31 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 2.05 percent

Total to Air: 68.21 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.93 5.24 1000

Water 54.1 900 1000

Soil 41.4 1.8e+003 1000

Sediment 0.599 8.1e+003 0

Persistence Time: 149 hr

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